Geometry & MOs

Info

ID:	229854
PubChem CID:	87569369
Reduced:	SO3N5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	497.246061
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	3.66
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)C)C#N

DOS

IR

Vibrations